A1JGF

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
C24	N25	doub	1.31Å	1.38Å	Aromatic
C24	N05	sing	1.34Å	1.35Å	Aromatic
N25	C03	sing	1.33Å	1.33Å	Aromatic
N05	C06	sing	1.47Å	1.50Å
N05	N04	sing	1.41Å	1.36Å	Aromatic
C03	N04	doub	1.31Å	1.35Å	Aromatic
C03	C02	sing	1.51Å	1.48Å
C06	C07	sing	1.51Å	1.54Å
N01	C02	sing	1.47Å	1.28Å
N08	C07	doub	1.30Å	1.33Å	Aromatic
N08	C09	sing	1.36Å	1.38Å	Aromatic
C07	N16	sing	1.36Å	1.37Å	Aromatic
C09	C10	doub	1.40Å	1.41Å	Aromatic
C09	C15	sing	1.41Å	1.37Å	Aromatic
N16	C17	sing	1.46Å	1.44Å
N16	C15	sing	1.38Å	1.36Å	Aromatic
C10	C11	sing	1.38Å	1.39Å	Aromatic
C19	C20	doub	1.38Å	1.37Å	Aromatic
C19	C18	sing	1.38Å	1.40Å	Aromatic
C17	C18	sing	1.51Å	1.51Å
C20	C21	sing	1.38Å	1.38Å	Aromatic
C18	C23	doub	1.38Å	1.38Å	Aromatic
C15	C13	doub	1.39Å	1.45Å	Aromatic
C21	C22	doub	1.38Å	1.39Å	Aromatic
C23	C22	sing	1.38Å	1.37Å	Aromatic
C11	CL14	sing	1.74Å	1.77Å
C11	C12	doub	1.39Å	1.40Å	Aromatic
C13	C12	sing	1.38Å	1.41Å	Aromatic
C10	H101	sing	1.08Å	1.08Å
C13	H131	sing	1.08Å	1.08Å
C17	H171	sing	1.09Å	1.10Å
C17	H172	sing	1.09Å	1.10Å
C20	H201	sing	1.08Å	1.08Å
C21	H211	sing	1.08Å	1.08Å
C22	H221	sing	1.08Å	1.08Å
C24	H241	sing	1.08Å	1.08Å
N01	H1	sing	1.01Å	1.00Å
N01	H2	sing	1.01Å	1.00Å
C02	H4	sing	1.09Å	1.10Å
C02	H5	sing	1.09Å	1.10Å
C06	H061	sing	1.09Å	1.10Å
C06	H062	sing	1.09Å	1.10Å
C12	H121	sing	1.08Å	1.08Å
C19	H191	sing	1.08Å	1.08Å
C23	H231	sing	1.08Å	1.08Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
N25	C24	N05	114.3°	108.1°
C24	N25	C03	100.6°	109.8°
N25	C24	H241	122.9°	125.9°
C24	N05	C06	134.6°	126.9°
C24	N05	N04	104.2°	106.4°
N05	C24	H241	122.8°	126.0°
N25	C03	N04	114.1°	109.0°
N25	C03	C02	127.7°	125.6°
C06	N05	N04	120.2°	126.8°
N05	C06	C07	105.7°	109.5°
N05	C06	H061	110.4°	109.4°
N05	C06	H062	110.4°	109.4°
N05	N04	C03	106.7°	106.7°
N04	C03	C02	118.1°	125.5°
C03	C02	N01	113.7°	109.5°
C03	C02	H4	108.4°	109.5°
C03	C02	H5	108.4°	109.4°
C06	C07	N08	121.6°	125.0°
C06	C07	N16	130.2°	124.9°
C07	C06	H061	110.4°	109.5°
C07	C06	H062	110.4°	109.5°
C02	N01	H1	109.5°	111.0°
C02	N01	H2	109.5°	111.0°
N01	C02	H4	108.4°	109.4°
N01	C02	H5	108.4°	109.5°
C07	N08	C09	109.6°	109.6°
N08	C07	N16	106.8°	110.1°
N08	C09	C10	130.2°	133.5°
N08	C09	C15	107.4°	107.0°
C07	N16	C17	123.1°	126.4°
C07	N16	C15	109.9°	107.3°
C10	C09	C15	122.3°	119.5°
C09	C10	C11	119.4°	119.7°
C09	C10	H101	120.3°	120.1°
C09	C15	N16	106.3°	106.0°
C09	C15	C13	118.8°	119.9°
C17	N16	C15	127.0°	126.3°
N16	C17	C18	118.4°	109.5°
N16	C17	H171	107.2°	109.5°
N16	C17	H172	107.2°	109.5°
N16	C15	C13	134.9°	134.1°
C10	C11	CL14	116.3°	119.7°
C10	C11	C12	120.0°	120.5°
C11	C10	H101	120.3°	120.1°
C20	C19	C18	117.3°	120.0°
C19	C20	C21	121.3°	120.0°
C19	C20	H201	119.3°	120.0°
C20	C19	H191	121.4°	120.0°
C19	C18	C17	120.5°	120.0°
C19	C18	C23	122.1°	120.0°
C18	C19	H191	121.3°	120.0°
C17	C18	C23	117.4°	120.0°
C18	C17	H171	107.2°	109.5°
C18	C17	H172	107.2°	109.5°
C20	C21	C22	120.1°	120.0°
C21	C20	H201	119.4°	120.0°
C20	C21	H211	119.9°	120.0°
C18	C23	C22	119.5°	120.0°
C18	C23	H231	120.3°	120.0°
C15	C13	C12	118.2°	119.9°
C15	C13	H131	120.9°	120.1°
C21	C22	C23	119.6°	120.0°
C22	C21	H211	119.9°	120.0°
C21	C22	H221	120.2°	120.0°
C23	C22	H221	120.2°	120.0°
C22	C23	H231	120.3°	120.0°
CL14	C11	C12	123.6°	119.7°
C11	C12	C13	121.1°	120.4°
C11	C12	H121	119.5°	119.8°
C12	C13	H131	120.9°	120.1°
C13	C12	H121	119.5°	119.8°
H171	C17	H172	109.5°	109.5°
H1	N01	H2	109.4°	111.0°
H4	C02	H5	109.5°	109.5°
H061	C06	H062	109.4°	109.5°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
N25	C24	N05	H241	180.0°	179.8°
N25	C24	N05	C06	171.9°	180.0°
N25	C24	N05	N04	4.0°	0.0°
C24	N25	C03	N04	1.5°	0.1°
C24	N25	C03	C02	178.5°	180.0°
N05	C24	N25	C03	3.5°	0.0°
C24	N05	C06	N04	166.4°	180.0°
C24	N05	N04	C03	2.8°	0.1°
C24	N05	C06	C07	93.2°	124.9°
C24	N05	C06	H061	147.4°	115.0°
C24	N05	C06	H062	26.2°	4.9°
N25	C03	N04	N05	0.8°	0.1°
N25	C03	N04	C02	177.3°	180.0°
N25	C03	C02	N01	8.7°	90.0°
C03	N25	C24	H241	176.5°	179.8°
N25	C03	C02	H4	112.0°	150.1°
N25	C03	C02	H5	129.3°	30.0°
C06	N05	N04	C03	172.8°	180.0°
N05	C06	C07	H061	119.4°	120.0°
N05	C06	C07	H062	119.4°	120.0°
N05	C06	C07	N08	76.3°	89.9°
N05	C06	C07	N16	87.7°	90.0°
C06	N05	C24	H241	8.1°	0.2°
N05	C06	H061	H062	121.7°	119.9°
N05	N04	C03	C02	176.5°	180.0°
N04	N05	C06	C07	73.2°	55.0°
N04	N05	C24	H241	176.0°	179.8°
N04	N05	C06	H061	46.2°	65.0°
N04	N05	C06	H062	167.4°	175.0°
N04	C03	C02	N01	174.4°	90.0°
N04	C03	C02	H4	64.9°	30.0°
N04	C03	C02	H5	53.8°	150.1°
C03	C02	N01	H4	120.6°	120.0°
C03	C02	N01	H5	120.6°	119.9°
C03	C02	N01	H1	180.0°	56.0°
C03	C02	N01	H2	60.0°	180.0°
C03	C02	H4	H5	118.1°	120.0°
C06	C07	N08	N16	167.3°	179.9°
C06	C07	N08	C09	171.6°	180.0°
C06	C07	N16	C17	10.3°	0.1°
C06	C07	N16	C15	169.3°	180.0°
C07	C06	H061	H062	121.7°	120.0°
C02	N01	H1	H2	120.0°	124.0°
N01	C02	H4	H5	118.1°	120.0°
C07	N08	C09	C10	179.7°	180.0°
C07	N08	C09	C15	3.6°	0.1°
N08	C07	N16	C17	176.2°	180.0°
N08	C07	N16	C15	3.4°	0.1°
N08	C07	C06	H061	164.3°	150.1°
N08	C07	C06	H062	43.1°	30.1°
C09	N08	C07	N16	4.3°	0.1°
N08	C09	C10	C15	176.3°	179.9°
N08	C09	C15	N16	1.3°	0.0°
N08	C09	C10	C11	178.9°	180.0°
N08	C09	C15	C13	179.5°	179.5°
N08	C09	C10	H101	1.1°	0.3°
C07	N16	C15	C09	1.3°	0.1°
C07	N16	C17	C15	179.6°	179.9°
C07	N16	C17	C18	86.3°	90.0°
C07	N16	C15	C13	176.4°	179.5°
C07	N16	C17	H171	152.4°	150.1°
C07	N16	C17	H172	35.0°	30.0°
N16	C07	C06	H061	31.7°	30.0°
N16	C07	C06	H062	152.9°	150.1°
C10	C09	C15	N16	178.4°	180.0°
C09	C10	C11	H101	180.0°	179.7°
C10	C09	C15	C13	3.5°	0.4°
C09	C10	C11	CL14	179.6°	179.8°
C09	C10	C11	C12	1.5°	0.2°
C09	C15	N16	C17	178.4°	180.0°
C09	C15	N16	C13	177.7°	179.4°
C15	C09	C10	C11	2.6°	0.0°
C09	C15	C13	C12	3.3°	0.7°
C15	C09	C10	H101	177.4°	179.7°
C09	C15	C13	H131	176.7°	179.7°
N16	C17	C18	C19	3.4°	90.8°
N16	C17	C18	H171	121.3°	120.0°
N16	C17	C18	H172	121.3°	120.0°
N16	C17	C18	C23	175.0°	90.0°
C17	N16	C15	C13	3.9°	0.6°
N16	C17	H171	H172	115.9°	120.0°
C15	N16	C17	C18	94.1°	89.9°
N16	C15	C13	C12	179.2°	180.0°
N16	C15	C13	H131	0.8°	0.4°
C15	N16	C17	H171	27.2°	30.0°
C15	N16	C17	H172	144.6°	150.1°
C10	C11	CL14	C12	178.0°	180.0°
C10	C11	C12	C13	1.5°	0.0°
C10	C11	C12	H121	178.5°	179.5°
C20	C19	C18	H191	180.0°	180.0°
C20	C19	C18	C17	179.3°	179.7°
C19	C20	C21	H201	180.0°	179.7°
C20	C19	C18	C23	1.0°	0.6°
C19	C20	C21	C22	0.0°	0.3°
C19	C20	C21	H211	179.9°	179.7°
C19	C18	C17	C23	178.4°	179.1°
C18	C19	C20	C21	1.1°	0.0°
C19	C18	C23	C22	0.2°	0.8°
C19	C18	C17	H171	124.7°	149.2°
C19	C18	C17	H172	117.9°	29.2°
C18	C19	C20	H201	178.9°	179.7°
C19	C18	C23	H231	179.8°	180.0°
C17	C18	C23	C22	178.2°	180.0°
C18	C17	H171	H172	116.0°	120.0°
C17	C18	C19	H191	0.7°	0.2°
C17	C18	C23	H231	1.8°	0.8°
C20	C21	C22	H211	180.0°	180.0°
C20	C21	C22	C23	1.3°	0.1°
C20	C21	C22	H221	178.7°	180.0°
C21	C20	C19	H191	179.0°	180.0°
C18	C23	C22	C21	1.4°	0.5°
C18	C23	C22	H231	180.0°	179.2°
C23	C18	C17	H171	53.7°	29.9°
C23	C18	C17	H172	63.7°	150.0°
C18	C23	C22	H221	178.7°	179.4°
C23	C18	C19	H191	179.1°	179.4°
C15	C13	C12	C11	2.4°	0.4°
C15	C13	C12	H131	180.0°	179.6°
C15	C13	C12	H121	177.7°	179.9°
C21	C22	C23	H221	180.0°	179.9°
C22	C21	C20	H201	180.0°	179.9°
C21	C22	C23	H231	178.7°	179.7°
C23	C22	C21	H211	178.7°	180.0°
CL14	C11	C12	C13	179.4°	180.0°
CL14	C11	C10	H101	0.4°	0.1°
CL14	C11	C12	H121	0.6°	0.5°
C11	C12	C13	H121	180.0°	179.5°
C12	C11	C10	H101	178.5°	180.0°
C11	C12	C13	H131	177.7°	180.0°
H131	C13	C12	H121	2.3°	0.4°
H201	C20	C21	H211	0.0°	0.0°
H201	C20	C19	H191	1.0°	0.3°
H211	C21	C22	H221	1.3°	0.1°
H221	C22	C23	H231	1.3°	0.2°
H1	N01	C02	H4	59.4°	176.0°
H1	N01	C02	H5	59.4°	64.0°
H2	N01	C02	H4	179.4°	60.0°
H2	N01	C02	H5	60.6°	60.0°

Release date:	2025-07-09
Definition date:	2025-06-11
Last modified:	2025-07-04
Release status:	REL
Processing site:	PDBE
Derived from:	9RI0